(E)-N-[(4-ethoxyphenyl)methyl]-N-methyl-3-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide

C24H26N2O3S — CID 134011161

About (E)-N-[(4-ethoxyphenyl)methyl]-N-methyl-3-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide

(E)-N-[(4-ethoxyphenyl)methyl]-N-methyl-3-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide (PubChem CID 134011161) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is (E)-N-[(4-ethoxyphenyl)methyl]-N-methyl-3-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: (E)-N-[(4-ethoxyphenyl)methyl]-N-methyl-3-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
• PubChem CID: 134011161
• Molecular Formula: C24H26N2O3S
• Molecular Weight: 422.55 g/mol
• Exact Mass: 422.17
• IUPAC Name: (E)-N-[(4-ethoxyphenyl)methyl]-N-methyl-3-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
• SMILES: CCOc1ccc(CN(C)C(=O)/C=C/c2ccc(OCc3csc(C)n3)cc2)cc1
• InChI: InChI=1S/C24H26N2O3S/c1-4-28-22-12-7-20(8-13-22)15-26(3)24(27)14-9-19-5-10-23(11-6-19)29-16-21-17-30-18(2)25-21/h5-14,17H,4,15-16H2,1-3H3/b14-9+
• InChIKey: WJSQRQIKSPNQJZ-NTEUORMPSA-N
• XLogP: 5.10
• TPSA: 51.66 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	422.55
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4-ethoxyphenyl)methyl]-N-methyl-3-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide?

The IUPAC name of (E)-N-[(4-ethoxyphenyl)methyl]-N-methyl-3-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide (CID 134011161) is (E)-N-[(4-ethoxyphenyl)methyl]-N-methyl-3-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide.

What is the SMILES notation for (E)-N-[(4-ethoxyphenyl)methyl]-N-methyl-3-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide?

The canonical SMILES for (E)-N-[(4-ethoxyphenyl)methyl]-N-methyl-3-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide is CCOc1ccc(CN(C)C(=O)/C=C/c2ccc(OCc3csc(C)n3)cc2)cc1.

What is the InChIKey of (E)-N-[(4-ethoxyphenyl)methyl]-N-methyl-3-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide?

The InChIKey is WJSQRQIKSPNQJZ-NTEUORMPSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-4-28-22-12-7-20(8-13-22)15-26(3)24(27)14-9-19-5-10-23(11-6-19)29-16-21-17-30-18(2)25-21/h5-14,17H,4,15-16H2,1-3H3/b14-9+.

What are the key properties of (E)-N-[(4-ethoxyphenyl)methyl]-N-methyl-3-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide?

(E)-N-[(4-ethoxyphenyl)methyl]-N-methyl-3-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide has a molecular weight of 422.55 g/mol, XLogP of 5.10, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-N-[(4-ethoxyphenyl)methyl]-N-methyl-3-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide is sourced from PubChem (CID 134011161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).